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CAS 1498319-67-7 (R)-2-Hydroxy-2’-[(S)-hydroxy(4-pyridyl)methyl]-[1,1’-binaphthalene] molecular structure lightbox
CAS RN: 1498319-67-7

(R)-2-Hydroxy-2’-[(S)-hydroxy(4-pyridyl)methyl]-[1,1’-binaphthalene]

  • Product code: SSC-059761
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1498319-67-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.5g ≥95% 0 Out of Stock Shenzhen Inquiry

1498319-67-7 / 1-[2-[(S)-hydroxy(pyridin-4-yl)methyl]naphthalen-1-yl]naphthalen-2-ol

Standard CAS: 1498319-67-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1498319-67-7
Multi CAS
No
Molecular Formula
C26H19NO2
Molecular Weight
377.400000
Exact Mass
377.141579
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)[C@H](C5=CC=NC=C5)O
InChI
InChI=1S/C26H19NO2/c28-23-12-10-18-6-2-4-8-21(18)25(23)24-20-7-3-1-5-17(20)9-11-22(24)26(29)19-13-15-27-16-14-19/h1-16,26,28-29H/t26-/m1/s1
InChIKey
JYJLRFUVMXNOEH-AREMUKBSSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
26
Fraction Csp3
0.04
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
116.85
TPSA
53.35

LogP / Solubility

WLOGP
5.84
MLOGP
5.16
XLogP3
5.4
Consensus LogP
5.47
Log S (ESOL)
-6.33
Class (ESOL)
Insoluble
Log S (Ali)
-6.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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